data_1bts_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1bts _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 4.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.59 38.62 0.44 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.482 -1.447 . . . . 2.61 109.482 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 t -77.45 -41.16 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.615 -0.932 . . . . 2.76 109.312 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -38.38 83.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.729 -0.607 . . . . 1.95 109.569 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -75.23 -27.39 59.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.597 -0.689 . . . . 3.04 109.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.97 -31.5 61.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.427 -0.796 . . . . 2.18 109.469 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -37.81 67.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.551 -0.718 . . . . 2.67 109.406 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.84 -32.63 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.589 -0.694 . . . . 2.51 109.212 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -70.01 -33.85 72.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.255 -0.646 . . . . 1.7 109.255 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.04 -26.72 48.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.63 -0.669 . . . . 1.89 109.652 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -45.68 62.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.45 -0.781 . . . . 1.52 109.402 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.77 -46.46 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.557 -0.714 . . . . 1.91 109.279 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -21.6 66.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.615 -0.678 . . . . 3.04 109.757 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.9 -44.06 20.55 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.63 -1.388 . . . . 0.81 109.63 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.0 mt -67.08 -33.07 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.571 -0.958 . . . . 2.16 109.029 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -32.22 64.37 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.009 -0.737 . . . . 2.22 109.009 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.45 -29.53 67.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.641 -0.662 . . . . 2.79 109.823 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.66 -36.18 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.56 -0.712 . . . . 1.38 109.784 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -58.49 4.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.539 -0.726 . . . . 2.56 109.733 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.1 -3.5 45.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.557 -0.715 . . . . 2.57 110.77 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.45 19.64 44.65 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.147 -1.181 . . . . 2.96 110.147 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.53 96.31 9.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -1.12 . . . . 5.13 109.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.851 -1.781 . . . . 5.95 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 3.7799999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.535 ' O ' HD12 ' A' ' 6' ' ' LEU . . . -160.59 38.62 0.44 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.482 -1.447 . . . . 2.2400000000000002 109.482 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 t -77.45 -41.16 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.615 -0.932 . . . . 2.2200000000000002 109.312 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -38.38 83.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.729 -0.607 . . . . 1.5900000000000001 109.569 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -75.23 -27.39 59.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.597 -0.689 . . . . 3.04 109.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 2' ' ' GLY . 0.4 OUTLIER -74.97 -31.5 61.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.427 -0.796 . . . . 1.5800000000000001 109.469 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -37.81 67.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.551 -0.718 . . . . 2.0800000000000001 109.406 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.84 -32.63 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.589 -0.694 . . . . 1.95 109.212 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -70.01 -33.85 72.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.255 -0.646 . . . . 1.3 109.255 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.04 -26.72 48.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.63 -0.669 . . . . 1.3400000000000001 109.652 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -45.68 62.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.45 -0.781 . . . . 1.02 109.402 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.77 -46.46 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.557 -0.714 . . . . 1.3700000000000001 109.279 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -21.6 66.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.615 -0.678 . . . . 2.5299999999999998 109.757 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.9 -44.06 20.55 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.63 -1.388 . . . . 0.68000000000000005 109.63 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.0 mt -67.08 -33.07 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.571 -0.958 . . . . 1.71 109.029 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -32.22 64.37 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.009 -0.737 . . . . 1.6599999999999999 109.009 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.45 -29.53 67.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.641 -0.662 . . . . 1.97 109.823 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.66 -36.18 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.56 -0.712 . . . . 1.04 109.784 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -68.45 -58.49 4.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.539 -0.726 . . . . 2.0299999999999998 109.733 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.1 -3.5 45.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.557 -0.715 . . . . 2.0 110.77 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.45 19.64 44.65 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.147 -1.181 . . . . 2.96 110.147 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.53 96.31 9.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -1.12 . . . . 4.8200000000000003 109.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.851 -1.781 . . . . 5.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 3.78 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.535 ' O ' HD12 ' A' ' 6' ' ' LEU . . . -160.59 38.62 0.44 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.482 -1.447 . . . . 2.24 109.482 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 t -77.45 -41.16 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.615 -0.932 . . . . 2.22 109.312 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -38.38 83.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.729 -0.607 . . . . 1.59 109.569 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -75.23 -27.39 59.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.597 -0.689 . . . . 3.04 109.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 2' ' ' GLY . 0.4 OUTLIER -74.97 -31.5 61.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.427 -0.796 . . . . 1.58 109.469 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -37.81 67.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.551 -0.718 . . . . 2.08 109.406 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.84 -32.63 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.589 -0.694 . . . . 1.95 109.212 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -70.01 -33.85 72.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.255 -0.646 . . . . 1.3 109.255 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.04 -26.72 48.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.63 -0.669 . . . . 1.34 109.652 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -45.68 62.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.45 -0.781 . . . . 1.02 109.402 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.77 -46.46 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.557 -0.714 . . . . 1.37 109.279 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -21.6 66.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.615 -0.678 . . . . 2.53 109.757 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.9 -44.06 20.55 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.63 -1.388 . . . . 0.68 109.63 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.0 mt -67.08 -33.07 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.571 -0.958 . . . . 1.71 109.029 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -32.22 64.37 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.009 -0.737 . . . . 1.66 109.009 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.45 -29.53 67.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.641 -0.662 . . . . 1.97 109.823 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.66 -36.18 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.56 -0.712 . . . . 1.04 109.784 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -68.45 -58.49 4.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.539 -0.726 . . . . 2.03 109.733 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.1 -3.5 45.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.557 -0.715 . . . . 2.0 110.77 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.45 19.64 44.65 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.147 -1.181 . . . . 2.96 110.147 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.53 96.31 9.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -1.12 . . . . 4.82 109.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.851 -1.781 . . . . 5.29 . . . . . . . . . . 0 0 . 1 stop_ save_